100005 68 3 | Cheminformatics

Ethyl 4-[(furan-2-yl)oxy]benzoate

Formula:C13H12O4 CAS:100005-68-3

PropertyValue
Casrn100005-68-3
MolNameEthyl 4-[(furan-2-yl)oxy]benzoate
MolecularFormulaC13H12O4
SmilesCCOC(c(cc1)ccc1Oc1ccco1)=O
InChIInChI=1S/C13H12O4/c1-2-15-13(14)10-5-7-11(8-6-10)17-12-4-3-9-16-12/h3-9H,2H2,1H3
InChIKUPFFITZHQRLBOF-UHFFFAOYSA-N
CanonicalSyTyLFya25460200b37bdfe
TotalMolweight232.234
Molweight232.234
MonoisotopicMass232.07356
CLogP2.8606
CLogS-4.537
H Acceptors4
TotalSurfaceArea186.48
Relative PSA0.25284
PolarSurfaceArea48.67
Druglikeness-4.9451
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.70588
Molecula Flexibility0.49177
Molecular Complexity0.62953
Fragments1
Non HAtoms17
NonCHAtoms4
Electronegative Atoms4
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms4
Symmetricatoms2
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
100-45-8nonenonehighC7H9N107.155-10.018
10000-51-8nonenonenoneC14H15NO3245.2770.10503
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
10001-43-1nonenonenoneC15H18N6O2314.3484.1828
1000-30-2nonenonehighC9H16O140.225-7.4662
1000-78-8highlownoneC11H24N2184.326-10.254
100020-94-8highnonelowC12H17OCl212.719-11.962
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
100-99-2nonenonelowC12H27Al198.328-22.009
10001-51-1nonenonenoneC9H18N2O170.2555.9677
1000339-54-7nonenonenoneC9H7O2F3204.147-11.176
100-01-6nonenonenoneC6H6N2O2138.126-7.2389
100-13-0nonenonelowC8H7NO2149.149-10.212
100-93-6highhighhighC19H18N2O2S338.43-12.848
100019-40-7nonenonenoneC14H15NO3245.277-1.947
100-32-3nonenonenoneC12H8N2O4S2308.338-7.3436
100004-92-0nonenonenoneC16H11NO2249.268-1.5746
1000-44-8highhighlowC7H7Cl126.586-8.5908
1000-36-8nonenonenoneC11H25O3P236.29-27.011
100-52-7highhighhighC7H6O106.124-4.225
100-73-2highnonenoneC6H8O2112.128-6.3422
10000-20-1nonelowhighC12H32N2Si2260.572-64.51
1000160-96-2nonenonenoneC24H28N2O3.C2H4O2392.4971.9926
1000-68-6nonenonenoneC3H9NO3S2171.24-3.0843
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
100033-28-1lownonehighC6H9N7179.186-2.3035
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
100-82-3nonenonenoneC7H8NF125.146-3.4112
100-04-9nonehighnoneCl.C8H10N3148.188-2.0275
100021-84-9highhighhighH3O4P.C18H36O2.C2H8N2284.482-25.216
100010-00-2nonenonenoneC20H23NO5357.405-3.7157
100-92-5nonenonenoneC11H17N163.2631.1672
100-21-0highnonehighC8H6O4166.132-1.8442
100-40-3nonenonehighC8H12108.183-9.1684
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
1000-41-5nonenonelowC10H18O154.252-9.05
100009-99-2lowhighnoneC21H25NO4355.4332.9337
100005-12-7nonenonelowC11H10NCl191.662.2675
1000-86-8nonenonenoneC7H1296.1723-10.397
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689
100005-01-4nonenonehighC8H21BrSSi2285.397-52.815
100020-95-9highnonelowC12H17OCl212.719-11.962
1000018-52-9nonenonenoneC11H12N2O2S2268.361.3179
1000-63-1nonenonehighC8H18O130.23-19.78
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
1000269-68-0nonenonenoneC14H24N4248.3730.99367
100-81-2nonenonenoneC8H11N121.182-2.1005
100003-81-4highhighnoneC8H7N2OClS214.6761.4208
100033-12-3nonenonenoneC11H10N3O2Br296.123-13.354
100027-33-6nonenonenoneI.C21H27N2O323.4583.6949
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994
100-28-7highlowlowC7H4N2O3164.12-21.552
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647
100-86-7nonenonenoneC10H14O150.22-2.4187
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121
100-11-8lowhighnoneC7H6NO2Br216.034-13.162
100005-44-5highnonelowC7H5O2ClS188.634-11.771